5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde

C11H14N2O3 — CID 63597220

IUPAC5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1(C)C(=O)NCCN1c1ccc(C=O)o1
InChIInChI=1S/C11H14N2O3/c1-11(2)10(15)12-5-6-13(11)9-4-3-8(7-14)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyPAFVBAOAIHOVLC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.81
Rot. Bonds2

About 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde

5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde (PubChem CID 63597220) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
PubChem CID63597220
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde
SMILESCC1(C)C(=O)NCCN1c1ccc(C=O)o1
InChIInChI=1S/C11H14N2O3/c1-11(2)10(15)12-5-6-13(11)9-4-3-8(7-14)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,15)
InChIKeyPAFVBAOAIHOVLC-UHFFFAOYSA-N
XLogP0.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
5-(Dimethylamino)furan-2-carbaldehyde
CID 802276
5-Diethylamino-Furan-2-Carbaldehyde
CID 768638
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
CID 2221968
5-(4-Methylpiperidin-1-yl)furan-2-carbaldehyde
CID 3160428
2-[4-(2-furoyl)piperazino]-N-phenyl-propionamide
CID 16327673
Piperazine, 1-(4-aminophenyl)-4-(2-furanylcarbonyl)-
CID 935439

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde (CID 63597220) is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde is CC1(C)C(=O)NCCN1c1ccc(C=O)o1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
The InChIKey is PAFVBAOAIHOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2)10(15)12-5-6-13(11)9-4-3-8(7-14)16-9/h3-4,7H,5-6H2,1-2H3,(H,12,15).
What are the key properties of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde?
5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)furan-2-carbaldehyde is sourced from PubChem (CID 63597220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).